HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=695",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=693",
"results": [
{
"id": "jvasp-28855",
"created_at": "2022-09-04T14:37:30.819720Z",
"updated_at": "2022-09-04T14:37:30.819743Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569117 -0.000000 0.000000\n-1.784559 3.091027 -0.000015\n0.000000 -0.000180 38.011375\nTe Mo W\n8 2 2\ndirect\n0.333339 0.666679 0.329743 Te\n0.333349 0.666700 0.704741 Te\n0.666652 0.333301 0.046717 Te\n0.666662 0.333322 0.421715 Te\n0.666659 0.333316 0.142317 Te\n0.666664 0.333327 0.517039 Te\n0.333337 0.666674 0.234419 Te\n0.333342 0.666685 0.609141 Te\n0.333333 0.666666 0.469381 Mo\n0.666668 0.333335 0.282077 Mo\n0.333325 0.666648 0.094471 W\n0.666676 0.333353 0.656987 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.257890548934835,
"density_atomic": 0.02861568080137388,
"volume": 419.35049818643006,
"volume_molar": 21.04489773212339,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2355044944444447,
"spacegroup": 164
},
{
"id": "jvasp-29109",
"created_at": "2022-09-04T14:36:19.706592Z",
"updated_at": "2022-09-04T14:36:19.706620Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569018 0.000000 0.000000\n-1.784509 3.090837 -0.000021\n0.000000 -0.000268 38.032257\nTe Mo W\n8 2 2\ndirect\n0.333347 0.666694 0.329536 Te\n0.333356 0.666713 0.704784 Te\n0.666655 0.333309 0.047074 Te\n0.666650 0.333298 0.421515 Te\n0.666647 0.333292 0.142301 Te\n0.666668 0.333335 0.517121 Te\n0.333324 0.666648 0.234261 Te\n0.333356 0.666713 0.609237 Te\n0.333316 0.666631 0.094642 Mo\n0.666670 0.333339 0.281902 Mo\n0.333324 0.666648 0.469322 W\n0.666691 0.333382 0.657052 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.255012565444859,
"density_atomic": 0.028602520542935866,
"volume": 419.5434448508319,
"volume_molar": 21.05458066522506,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235511161111112,
"spacegroup": 156
},
{
"id": "jvasp-29024",
"created_at": "2022-09-04T14:35:42.890358Z",
"updated_at": "2022-09-04T14:35:42.890392Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.568961 0.000000 0.000003\n-1.784481 3.090813 -0.000016\n0.000034 -0.000179 38.037223\nTe Mo W\n8 2 2\ndirect\n0.333343 0.666694 0.329831 Te\n0.333356 0.666719 0.704631 Te\n0.666658 0.333312 0.046961 Te\n0.666654 0.333298 0.421829 Te\n0.666643 0.333283 0.142173 Te\n0.666669 0.333337 0.517087 Te\n0.333335 0.666674 0.234227 Te\n0.333337 0.666678 0.609091 Te\n0.333317 0.666631 0.094525 Mo\n0.333328 0.666651 0.469458 Mo\n0.666672 0.333351 0.282028 W\n0.666680 0.333366 0.656905 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.254344384100381,
"density_atomic": 0.02859946512611106,
"volume": 419.58826667160656,
"volume_molar": 21.056830026173593,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235509494444445,
"spacegroup": 156
},
{
"id": "jvasp-29052",
"created_at": "2022-09-04T14:37:15.019795Z",
"updated_at": "2022-09-04T14:37:15.019818Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.568764 0.000001 0.000007\n-1.784382 3.090664 -0.000032\n0.000069 -0.000359 38.059438\nTe Mo W\n8 2 2\ndirect\n0.333332 0.666678 0.329679 Te\n0.333358 0.666726 0.704442 Te\n0.666640 0.333272 0.047016 Te\n0.666666 0.333320 0.421779 Te\n0.666657 0.333318 0.142177 Te\n0.666658 0.333305 0.517323 Te\n0.333340 0.666693 0.234136 Te\n0.333342 0.666680 0.609281 Te\n0.333316 0.666628 0.094556 Mo\n0.666683 0.333370 0.656902 Mo\n0.333330 0.666645 0.469548 W\n0.666669 0.333353 0.281910 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.2513391671253284,
"density_atomic": 0.028585723062547547,
"volume": 419.7899760570396,
"volume_molar": 21.066952712104353,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235516161111112,
"spacegroup": 164
},
{
"id": "jvasp-87992",
"created_at": "2022-09-04T14:36:15.062624Z",
"updated_at": "2022-09-04T14:36:15.062644Z",
"structure_string": "Te8 Mo2 Br2\n1.0\n6.710467 0.002891 -1.538013\n-2.309138 6.919442 -3.073602\n0.005085 0.053701 7.990969\nTe Mo Br\n8 2 2\ndirect\n0.879591 0.668248 0.827251 Te\n0.037598 0.888372 0.232578 Te\n0.962403 0.111627 0.767423 Te\n0.538008 0.238349 0.931986 Te\n0.611295 0.144826 0.311082 Te\n0.388706 0.855174 0.688918 Te\n0.120409 0.331751 0.172750 Te\n0.461993 0.761651 0.068015 Te\n0.781610 0.999804 0.001499 Mo\n0.218391 0.000195 0.998501 Mo\n0.743716 0.598435 0.415631 Br\n0.256284 0.401565 0.584370 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Te",
"density": 6.119164472013755,
"density_atomic": 0.03221927168481705,
"volume": 372.4478975623418,
"volume_molar": 18.691113874054025,
"formula_full": "Te8 Mo2 Br2",
"formula_reduced": "Te4MoBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7278285119444452,
"spacegroup": 2
},
{
"id": "jvasp-28849",
"created_at": "2022-09-04T14:37:17.398658Z",
"updated_at": "2022-09-04T14:37:17.398677Z",
"structure_string": "Te8 Mo1 W3\n1.0\n3.569740 0.000000 0.000000\n-1.784870 3.091463 -0.000024\n0.000000 -0.000272 38.050774\nTe Mo W\n8 1 3\ndirect\n0.333350 0.666700 0.329590 Te\n0.333354 0.666709 0.704687 Te\n0.666650 0.333299 0.046889 Te\n0.666649 0.333298 0.421579 Te\n0.666646 0.333292 0.142380 Te\n0.666663 0.333325 0.517124 Te\n0.333346 0.666693 0.234379 Te\n0.333341 0.666683 0.609202 Te\n0.666685 0.333369 0.281984 Mo\n0.333312 0.666624 0.094590 W\n0.333319 0.666639 0.469356 W\n0.666684 0.333367 0.656987 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.597033664872647,
"density_atomic": 0.028577031404254244,
"volume": 419.91765450534405,
"volume_molar": 21.073360192001918,
"formula_full": "Te8 Mo1 W3",
"formula_reduced": "Te8MoW3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.762863169444445,
"spacegroup": 156
},
{
"id": "jvasp-29054",
"created_at": "2022-09-04T14:37:15.016684Z",
"updated_at": "2022-09-04T14:37:15.016701Z",
"structure_string": "Te8 Mo1 W3\n1.0\n3.569609 -0.000000 0.000004\n-1.784805 3.091373 -0.000023\n0.000047 -0.000272 38.078417\nTe Mo W\n8 1 3\ndirect\n0.333341 0.666688 0.329660 Te\n0.333353 0.666711 0.704614 Te\n0.666649 0.333296 0.047101 Te\n0.666659 0.333303 0.421706 Te\n0.666654 0.333308 0.142195 Te\n0.666668 0.333326 0.517178 Te\n0.333339 0.666677 0.234181 Te\n0.333346 0.666690 0.609196 Te\n0.333318 0.666635 0.094607 Mo\n0.333331 0.666648 0.469442 W\n0.666673 0.333349 0.281923 W\n0.666682 0.333367 0.656945 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.592678408568872,
"density_atomic": 0.02855816530435403,
"volume": 420.1950605759137,
"volume_molar": 21.087281678707328,
"formula_full": "Te8 Mo1 W3",
"formula_reduced": "Te8MoW3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.7628665027777775,
"spacegroup": 156
},
{
"id": "jvasp-58259",
"created_at": "2022-09-04T14:37:10.427183Z",
"updated_at": "2022-09-04T14:37:10.427194Z",
"structure_string": "Te8 Ir4\n1.0\n6.565190 0.000000 -0.000000\n-0.000000 6.565190 0.000000\n0.000000 -0.000000 6.565190\nTe Ir\n8 4\ndirect\n0.366618 0.133382 0.866618 Te\n0.133382 0.866618 0.366618 Te\n0.866618 0.366618 0.133382 Te\n0.633382 0.633382 0.633382 Te\n0.366618 0.366618 0.366618 Te\n0.133382 0.633382 0.866618 Te\n0.866618 0.133382 0.633382 Te\n0.633382 0.866618 0.133382 Te\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 10.502185194416844,
"density_atomic": 0.04240717555449785,
"volume": 282.9709793942464,
"volume_molar": 14.200758907560095,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8426588777777773,
"spacegroup": 205
},
{
"id": "jvasp-56178",
"created_at": "2022-09-04T14:37:00.797749Z",
"updated_at": "2022-09-04T14:37:00.797776Z",
"structure_string": "Te8 Ir4\n1.0\n4.048016 -0.000000 0.000000\n0.000000 5.463454 0.000000\n0.000000 0.000000 13.580964\nTe Ir\n8 4\ndirect\n0.250000 0.761994 0.950571 Te\n0.250000 0.738005 0.450571 Te\n0.250000 0.293800 0.807150 Te\n0.750001 0.261994 0.549429 Te\n0.750001 0.238005 0.049429 Te\n0.750001 0.706200 0.192850 Te\n0.250000 0.206200 0.307150 Te\n0.750001 0.793799 0.692850 Te\n0.750001 0.485536 0.366268 Ir\n0.750001 0.014464 0.866268 Ir\n0.250000 0.985535 0.133732 Ir\n0.250000 0.514463 0.633731 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.894217681767193,
"density_atomic": 0.03995224026597604,
"volume": 300.3586262024808,
"volume_molar": 15.073349378929699,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.823855544444444,
"spacegroup": 62
},
{
"id": "jvasp-29806",
"created_at": "2022-09-04T14:37:30.990553Z",
"updated_at": "2022-09-04T14:37:30.990572Z",
"structure_string": "Te8 H8 O24\n1.0\n12.039884 0.000000 -0.000207\n0.000000 8.130555 0.000000\n0.000102 0.000000 4.770086\nTe H O\n8 8 24\ndirect\n0.612337 0.465580 -0.016651 Te\n0.387817 0.534432 0.483353 Te\n0.887816 0.965567 0.483353 Te\n0.112337 0.034420 -0.016651 Te\n0.939548 0.358974 0.848891 Te\n0.060606 0.641014 0.348891 Te\n0.560606 0.858985 0.348891 Te\n0.439548 0.141026 0.848891 Te\n0.226140 0.113276 0.396288 H\n0.774003 0.886722 0.896285 H\n0.726140 0.386724 0.396288 H\n0.274003 0.613277 0.896286 H\n0.745847 0.117854 0.198206 H\n0.245847 0.382145 0.198206 H\n0.754310 0.617854 0.698199 H\n0.254310 0.882145 0.698199 H\n0.483423 0.405427 0.221047 O\n0.287164 0.668692 0.711566 O\n0.712984 0.331314 0.211564 O\n0.079228 0.235503 0.779663 O\n0.920922 0.764482 0.279671 O\n0.420923 0.735518 0.279671 O\n0.579228 0.264497 0.779663 O\n0.983422 0.094573 0.221047 O\n0.016730 0.905413 0.721050 O\n0.516730 0.594586 0.721050 O\n0.849480 0.160924 0.676250 O\n0.237237 0.002916 0.717623 O\n0.650674 0.660935 0.176242 O\n0.349480 0.339075 0.676250 O\n0.453097 0.050500 0.482520 O\n0.547059 0.949516 0.982521 O\n0.047059 0.550483 0.982521 O\n0.953097 0.449500 0.482520 O\n0.787164 0.831307 0.711566 O\n0.762918 0.997082 0.217629 O\n0.262918 0.502917 0.217629 O\n0.737237 0.497084 0.717623 O\n0.150674 0.839064 0.176242 O\n0.212984 0.168686 0.211564 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 5.024307125670982,
"density_atomic": 0.08566260703823171,
"volume": 466.94819808773474,
"volume_molar": 7.0300694412817535,
"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.078873653333333,
"spacegroup": 33
},
{
"id": "jvasp-88237",
"created_at": "2022-09-04T14:36:01.193827Z",
"updated_at": "2022-09-04T14:36:01.193855Z",
"structure_string": "Te8 H8 O24\n1.0\n12.006867 0.000000 -0.000009\n0.000000 8.116945 0.000000\n-0.000028 0.000000 4.789431\nTe H O\n8 8 24\ndirect\n0.607317 0.439722 0.979502 Te\n0.392838 0.560259 0.479501 Te\n0.892838 0.939740 0.479501 Te\n0.107317 0.060277 0.979502 Te\n0.890873 0.333140 0.855085 Te\n0.109283 0.666877 0.355087 Te\n0.609283 0.833122 0.355087 Te\n0.390872 0.166860 0.855085 Te\n0.197887 0.162229 0.417718 H\n0.802284 0.837749 0.917719 H\n0.697887 0.337771 0.417718 H\n0.302284 0.662250 0.917719 H\n0.625440 0.044740 0.992269 H\n0.125440 0.455259 0.992269 H\n0.874708 0.544752 0.492256 H\n0.374708 0.955247 0.492256 H\n0.473184 0.409501 0.224618 O\n0.308121 0.705803 0.721197 O\n0.692048 0.294202 0.221208 O\n0.047685 0.247179 0.780670 O\n0.952474 0.752845 0.280655 O\n0.452474 0.747154 0.280655 O\n0.547685 0.252821 0.780670 O\n0.973184 0.090499 0.224618 O\n0.026972 0.909523 0.724613 O\n0.526972 0.590476 0.724613 O\n0.831198 0.133887 0.676882 O\n0.230690 0.064302 0.726571 O\n0.668962 0.633879 0.176865 O\n0.331197 0.366113 0.676882 O\n0.428388 0.046765 0.514554 O\n0.571763 0.953219 0.014561 O\n0.071762 0.546780 0.014561 O\n0.928388 0.453234 0.514554 O\n0.808121 0.794197 0.721197 O\n0.769461 0.935700 0.226583 O\n0.269461 0.564299 0.226583 O\n0.730690 0.435698 0.726571 O\n0.168961 0.866120 0.176865 O\n0.192048 0.205798 0.221208 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 5.026187188518651,
"density_atomic": 0.08569466142521458,
"volume": 466.77353448566754,
"volume_molar": 7.027439819288511,
"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.083199653333333,
"spacegroup": 33
},
{
"id": "jvasp-88238",
"created_at": "2022-09-04T14:36:07.818518Z",
"updated_at": "2022-09-04T14:36:07.818544Z",
"structure_string": "Te8 H8 O24\n1.0\n11.926718 0.000000 -0.185151\n0.000000 8.171889 0.000000\n-0.074585 0.000000 4.791380\nTe H O\n8 8 24\ndirect\n0.615811 0.443900 0.982211 Te\n0.389938 0.525899 0.485945 Te\n0.889938 0.974101 0.485945 Te\n0.115811 0.056100 0.982211 Te\n0.921766 0.360445 0.884619 Te\n0.073916 0.667565 0.334337 Te\n0.573916 0.832435 0.334337 Te\n0.421766 0.139555 0.884619 Te\n0.210721 0.140594 0.442607 H\n0.780630 0.891107 0.889058 H\n0.710722 0.359406 0.442607 H\n0.280630 0.608893 0.889058 H\n0.860852 0.542823 0.507365 H\n0.736054 0.114844 0.209176 H\n0.236054 0.385157 0.209176 H\n0.360852 0.957177 0.507365 H\n0.482222 0.396118 0.221435 O\n0.293902 0.662715 0.705962 O\n0.707435 0.313347 0.245096 O\n0.065967 0.256128 0.789042 O\n0.926519 0.777751 0.279778 O\n0.426519 0.722249 0.279778 O\n0.565967 0.243872 0.789042 O\n0.982222 0.103883 0.221435 O\n0.022899 0.918900 0.723359 O\n0.522899 0.581100 0.723359 O\n0.845528 0.166914 0.678851 O\n0.237747 0.042902 0.744236 O\n0.657407 0.644797 0.182487 O\n0.345528 0.333086 0.678851 O\n0.429184 0.026658 0.517642 O\n0.540747 0.939588 0.994538 O\n0.040747 0.560412 0.994538 O\n0.929184 0.473342 0.517642 O\n0.793902 0.837285 0.705962 O\n0.761281 0.996236 0.216429 O\n0.261281 0.503764 0.216429 O\n0.737747 0.457098 0.744237 O\n0.157407 0.855203 0.182487 O\n0.207435 0.186654 0.245096 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 5.025112855242695,
"density_atomic": 0.08567634443404656,
"volume": 466.8733273370679,
"volume_molar": 7.028942235783448,
"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.083543653333333,
"spacegroup": 7
}
]
}